Crystallography Open Database

Information card for entry 7024895

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Structure parameters

Formula	C53 H60 N6 O10 S
Calculated formula	C53 H60 N6 O10 S
Title of publication	Calix[6]arene-picolinamide extractants for radioactive waste: effect of modification of the basicity of the pyridine N atom on the extraction efficiency and An/Ln separation.
Authors of publication	Galletta, Michele; Baldini, Laura; Sansone, Francesco; Ugozzoli, Franco; Ungaro, Rocco; Casnati, Alessandro; Mariani, Mario
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2546 - 2553
a	12.877 ± 0.001 Å
b	18.797 ± 0.002 Å
c	12.135 ± 0.001 Å
α	102.542 ± 0.005°
β	115.397 ± 0.005°
γ	94.097 ± 0.006°
Cell volume	2544.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1314
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2604
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7024895.cif
179953	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/48.	7024895.cif
92728	2014-01-12	cif/ Adding structures of 7024895 via cif-deposit CGI script.	7024895.cif